NF5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
BR1 | C2 | sing | 1.89Å | 1.90Å | |
C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C8 | sing | 1.48Å | 1.49Å | |
C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | O9 | doub | 1.22Å | 1.23Å | |
C8 | N10 | sing | 1.35Å | 1.36Å | |
N10 | C11 | sing | 1.40Å | 1.43Å | |
C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.52Å | 1.51Å | |
C14 | C22 | sing | 1.37Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C16 | N17 | sing | 1.45Å | 1.46Å | |
N17 | C20 | sing | 1.45Å | 1.46Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C21 | C22 | sing | 1.52Å | 1.51Å | |
C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
N10 | HN10 | sing | 0.97Å | 1.00Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
N17 | HN17 | sing | 1.01Å | 1.00Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
BR1 | C2 | C3 | 119.9° | 119.9° |
BR1 | C2 | C7 | 119.3° | 119.8° |
C3 | C2 | C7 | 120.8° | 120.3° |
C2 | C3 | C4 | 119.6° | 120.1° |
C2 | C3 | H3 | 120.2° | 119.9° |
C2 | C7 | C6 | 119.1° | 120.1° |
C2 | C7 | H7 | 120.4° | 120.0° |
C3 | C4 | C5 | 120.1° | 119.9° |
C4 | C3 | H3 | 120.2° | 120.0° |
C3 | C4 | H4 | 120.0° | 120.1° |
C4 | C5 | C6 | 119.6° | 119.7° |
C4 | C5 | C8 | 123.9° | 120.2° |
C5 | C4 | H4 | 120.0° | 120.0° |
C6 | C5 | C8 | 116.6° | 120.2° |
C5 | C6 | C7 | 120.9° | 119.9° |
C5 | C6 | H6 | 119.6° | 120.0° |
C5 | C8 | O9 | 119.5° | 120.0° |
C5 | C8 | N10 | 117.5° | 120.0° |
C7 | C6 | H6 | 119.5° | 120.1° |
C6 | C7 | H7 | 120.5° | 119.9° |
O9 | C8 | N10 | 122.9° | 120.0° |
C8 | N10 | C11 | 128.8° | 120.0° |
C8 | N10 | HN10 | 115.6° | 120.0° |
N10 | C11 | C12 | 117.3° | 120.0° |
N10 | C11 | C23 | 123.9° | 120.1° |
C11 | N10 | HN10 | 115.6° | 120.0° |
C12 | C11 | C23 | 118.8° | 119.9° |
C11 | C12 | C13 | 120.8° | 120.0° |
C11 | C12 | H12 | 119.6° | 120.0° |
C11 | C23 | C22 | 121.3° | 119.6° |
C11 | C23 | H23 | 119.4° | 120.2° |
C12 | C13 | C14 | 121.0° | 119.8° |
C13 | C12 | H12 | 119.6° | 120.0° |
C12 | C13 | H13 | 119.5° | 120.1° |
C13 | C14 | C15 | 117.5° | 119.8° |
C13 | C14 | C22 | 119.0° | 120.4° |
C14 | C13 | H13 | 119.5° | 120.1° |
C15 | C14 | C22 | 123.5° | 119.8° |
C14 | C15 | C16 | 114.8° | 108.3° |
C14 | C15 | H15 | 108.1° | 109.6° |
C14 | C15 | H15A | 108.1° | 109.6° |
C14 | C22 | C21 | 120.5° | 119.8° |
C14 | C22 | C23 | 119.2° | 120.4° |
C15 | C16 | N17 | 114.9° | 110.9° |
C16 | C15 | H15 | 108.2° | 109.7° |
C16 | C15 | H15A | 108.1° | 109.7° |
C15 | C16 | H16 | 108.1° | 109.2° |
C15 | C16 | H16A | 108.1° | 109.2° |
C16 | N17 | C20 | 114.7° | 116.7° |
N17 | C16 | H16 | 108.1° | 109.1° |
N17 | C16 | H16A | 108.1° | 109.2° |
C16 | N17 | HN17 | 108.1° | 111.0° |
N17 | C20 | C21 | 115.5° | 110.9° |
C20 | N17 | HN17 | 108.2° | 111.0° |
N17 | C20 | H20 | 107.9° | 109.2° |
N17 | C20 | H20A | 107.9° | 109.2° |
C20 | C21 | C22 | 116.3° | 108.3° |
C21 | C20 | H20 | 108.0° | 109.2° |
C21 | C20 | H20A | 107.9° | 109.2° |
C20 | C21 | H21 | 107.7° | 109.6° |
C20 | C21 | H21A | 107.7° | 109.7° |
C21 | C22 | C23 | 120.3° | 119.8° |
C22 | C21 | H21 | 107.7° | 109.7° |
C22 | C21 | H21A | 107.7° | 109.7° |
C22 | C23 | H23 | 119.4° | 120.3° |
H15 | C15 | H15A | 109.4° | 109.7° |
H16 | C16 | H16A | 109.5° | 109.1° |
H20 | C20 | H20A | 109.5° | 109.2° |
H21 | C21 | H21A | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
BR1 | C2 | C3 | C7 | 179.5° | 179.7° |
BR1 | C2 | C3 | C4 | 179.4° | 180.0° |
BR1 | C2 | C7 | C6 | 179.1° | 179.7° |
BR1 | C2 | C3 | H3 | 0.6° | 0.0° |
BR1 | C2 | C7 | H7 | 0.9° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C3 | C2 | C7 | C6 | 0.4° | 0.5° |
C2 | C3 | C4 | H4 | 179.9° | 180.0° |
C3 | C2 | C7 | H7 | 179.7° | 179.7° |
C7 | C2 | C3 | C4 | 0.1° | 0.3° |
C2 | C7 | C6 | C5 | 0.5° | 0.5° |
C2 | C7 | C6 | H7 | 180.0° | 179.7° |
C7 | C2 | C3 | H3 | 179.9° | 179.7° |
C2 | C7 | C6 | H6 | 179.4° | 179.8° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | C8 | 179.6° | 180.0° |
C4 | C5 | C6 | C8 | 179.6° | 179.9° |
C4 | C5 | C6 | C7 | 0.4° | 0.3° |
C4 | C5 | C8 | O9 | 172.5° | 0.0° |
C4 | C5 | C8 | N10 | 8.0° | 180.0° |
C5 | C4 | C3 | H3 | 179.9° | 180.0° |
C4 | C5 | C6 | H6 | 179.6° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.7° |
C6 | C5 | C8 | O9 | 8.0° | 180.0° |
C6 | C5 | C8 | N10 | 171.5° | 0.1° |
C6 | C5 | C4 | H4 | 179.9° | 179.9° |
C5 | C6 | C7 | H7 | 179.5° | 179.7° |
C8 | C5 | C6 | C7 | 180.0° | 179.8° |
C5 | C8 | O9 | N10 | 179.5° | 180.0° |
C5 | C8 | N10 | C11 | 176.9° | 174.7° |
C8 | C5 | C4 | H4 | 0.4° | 0.0° |
C8 | C5 | C6 | H6 | 0.0° | 0.1° |
C5 | C8 | N10 | HN10 | 3.1° | 5.3° |
O9 | C8 | N10 | C11 | 2.6° | 5.3° |
O9 | C8 | N10 | HN10 | 177.4° | 174.7° |
C8 | N10 | C11 | HN10 | 180.0° | 180.0° |
C8 | N10 | C11 | C12 | 14.1° | 146.8° |
C8 | N10 | C11 | C23 | 165.7° | 33.5° |
N10 | C11 | C12 | C23 | 179.8° | 179.7° |
N10 | C11 | C12 | C13 | 179.9° | 180.0° |
N10 | C11 | C23 | C22 | 179.7° | 179.7° |
N10 | C11 | C12 | H12 | 0.2° | 0.1° |
N10 | C11 | C23 | H23 | 0.3° | 0.1° |
C11 | C12 | C13 | H12 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.4° | 0.1° |
C12 | C11 | C23 | C22 | 0.5° | 0.6° |
C12 | C11 | N10 | HN10 | 165.9° | 33.1° |
C11 | C12 | C13 | H13 | 179.6° | 180.0° |
C12 | C11 | C23 | H23 | 179.5° | 179.7° |
C23 | C11 | C12 | C13 | 0.3° | 0.3° |
C11 | C23 | C22 | C14 | 0.6° | 0.6° |
C11 | C23 | C22 | C21 | 179.2° | 179.7° |
C11 | C23 | C22 | H23 | 180.0° | 179.7° |
C23 | C11 | N10 | HN10 | 14.3° | 146.6° |
C23 | C11 | C12 | H12 | 179.6° | 179.8° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 179.6° | 180.0° |
C12 | C13 | C14 | C22 | 0.6° | 0.1° |
C13 | C14 | C15 | C22 | 179.0° | 179.9° |
C13 | C14 | C15 | C16 | 122.7° | 110.5° |
C13 | C14 | C22 | C21 | 179.2° | 180.0° |
C13 | C14 | C22 | C23 | 0.7° | 0.3° |
C14 | C13 | C12 | H12 | 179.6° | 180.0° |
C13 | C14 | C15 | H15 | 116.5° | 9.2° |
C13 | C14 | C15 | H15A | 1.9° | 129.7° |
C14 | C15 | C16 | H15 | 120.8° | 119.7° |
C14 | C15 | C16 | H15A | 120.8° | 119.7° |
C14 | C15 | C16 | N17 | 77.9° | 84.8° |
C15 | C14 | C22 | C21 | 0.2° | 0.0° |
C15 | C14 | C22 | C23 | 179.7° | 179.7° |
C15 | C14 | C13 | H13 | 0.4° | 0.0° |
C14 | C15 | H15 | H15A | 117.6° | 120.5° |
C14 | C15 | C16 | H16 | 161.3° | 35.5° |
C14 | C15 | C16 | H16A | 42.9° | 154.8° |
C22 | C14 | C15 | C16 | 58.3° | 69.4° |
C14 | C22 | C21 | C20 | 57.8° | 69.5° |
C14 | C22 | C21 | C23 | 179.9° | 179.7° |
C22 | C14 | C13 | H13 | 179.4° | 180.0° |
C22 | C14 | C15 | H15 | 62.5° | 170.9° |
C22 | C14 | C15 | H15A | 179.1° | 50.3° |
C14 | C22 | C21 | H21 | 63.2° | 170.9° |
C14 | C22 | C21 | H21A | 178.8° | 50.3° |
C14 | C22 | C23 | H23 | 179.3° | 179.7° |
C15 | C16 | N17 | H16 | 120.8° | 120.4° |
C15 | C16 | N17 | H16A | 120.8° | 120.4° |
C15 | C16 | N17 | C20 | 68.7° | 69.7° |
C16 | C15 | H15 | H15A | 117.6° | 120.6° |
C15 | C16 | H16 | H16A | 117.5° | 119.3° |
C15 | C16 | N17 | HN17 | 52.1° | 161.8° |
C16 | N17 | C20 | HN17 | 120.7° | 128.6° |
C16 | N17 | C20 | C21 | 67.5° | 69.6° |
N17 | C16 | C15 | H15 | 42.9° | 155.6° |
N17 | C16 | C15 | H15A | 161.3° | 34.9° |
N17 | C16 | H16 | H16A | 117.5° | 119.3° |
C16 | N17 | C20 | H20 | 171.6° | 50.6° |
C16 | N17 | C20 | H20A | 53.4° | 169.9° |
N17 | C20 | C21 | H20 | 120.9° | 120.3° |
N17 | C20 | C21 | H20A | 120.9° | 120.4° |
N17 | C20 | C21 | C22 | 77.2° | 84.8° |
C20 | N17 | C16 | H16 | 170.5° | 50.7° |
C20 | N17 | C16 | H16A | 52.1° | 169.9° |
N17 | C20 | H20 | H20A | 117.3° | 119.3° |
N17 | C20 | C21 | H21 | 43.8° | 155.6° |
N17 | C20 | C21 | H21A | 161.9° | 34.9° |
C20 | C21 | C22 | H21 | 121.0° | 119.6° |
C20 | C21 | C22 | H21A | 121.0° | 119.7° |
C20 | C21 | C22 | C23 | 122.3° | 110.8° |
C21 | C20 | N17 | HN17 | 53.3° | 161.8° |
C21 | C20 | H20 | H20A | 117.2° | 119.3° |
C20 | C21 | H21 | H21A | 116.9° | 120.6° |
C22 | C21 | C20 | H20 | 162.0° | 35.5° |
C22 | C21 | C20 | H20A | 43.7° | 154.8° |
C22 | C21 | H21 | H21A | 116.9° | 120.6° |
C21 | C22 | C23 | H23 | 0.8° | 0.0° |
C23 | C22 | C21 | H21 | 116.7° | 8.8° |
C23 | C22 | C21 | H21A | 1.4° | 129.4° |
H3 | C3 | C4 | H4 | 0.1° | 0.0° |
H6 | C6 | C7 | H7 | 0.5° | 0.0° |
H12 | C12 | C13 | H13 | 0.4° | 0.0° |
H15 | C15 | C16 | H16 | 77.9° | 84.1° |
H15 | C15 | C16 | H16A | 163.7° | 35.1° |
H15A | C15 | C16 | H16 | 40.5° | 155.2° |
H15A | C15 | C16 | H16A | 77.9° | 85.5° |
H16 | C16 | N17 | HN17 | 68.7° | 77.9° |
H16A | C16 | N17 | HN17 | 172.9° | 41.4° |
HN17 | N17 | C20 | H20 | 67.6° | 77.9° |
HN17 | N17 | C20 | H20A | 174.1° | 41.4° |
H20 | C20 | C21 | H21 | 77.0° | 84.2° |
H20 | C20 | C21 | H21A | 41.0° | 155.2° |
H20A | C20 | C21 | H21 | 164.7° | 35.1° |
H20A | C20 | C21 | H21A | 77.3° | 85.5° |